N-methyl-2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine

C10H11F3N4 — CID 84728418

IUPACN-methyl-2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
SMILESCNCCc1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C10H11F3N4/c1-14-3-2-7-4-16-17-6-8(10(11,12)13)5-15-9(7)17/h4-6,14H,2-3H2,1H3
InChIKeyNIUXEQPHXPYBEF-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.51
Rot. Bonds3

About N-methyl-2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine

N-methyl-2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine (PubChem CID 84728418) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is N-methyl-2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
PubChem CID84728418
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC NameN-methyl-2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
SMILESCNCCc1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C10H11F3N4/c1-14-3-2-7-4-16-17-6-8(10(11,12)13)5-15-9(7)17/h4-6,14H,2-3H2,1H3
InChIKeyNIUXEQPHXPYBEF-UHFFFAOYSA-N
XLogP1.51
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219754
1-methyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221090
n-Ethyl-1,6-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 227491
1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 221087
N-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 221089
5-ethyl-N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)propyl]-2-methylpyrimidin-4-amine
CID 50978867
5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72885337
5-ethyl-N~4~-methyl-N~4~-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72899234
N~4~-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5-ethylpyrimidine-2,4-diamine
CID 72926789
n-Hexyl-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 227525
US20240174647, Example 115
CID 171597876
3,6-Dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 12847959

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine (CID 84728418) is N-methyl-2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine is CNCCc1cnn2cc(C(F)(F)F)cnc12.
What is the InChIKey of N-methyl-2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
The InChIKey is NIUXEQPHXPYBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c1-14-3-2-7-4-16-17-6-8(10(11,12)13)5-15-9(7)17/h4-6,14H,2-3H2,1H3.
What are the key properties of N-methyl-2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
N-methyl-2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine has a molecular weight of 244.22 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine is sourced from PubChem (CID 84728418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).